N-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide

C11H16ClN3O3S — CID 50895813

IUPACN-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CC(=O)NN)c1ccc(Cl)c(C)c1
InChIInChI=1S/C11H16ClN3O3S/c1-3-19(17,18)15(7-11(16)14-13)9-4-5-10(12)8(2)6-9/h4-6H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyWHXZPHFQYVNSDZ-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.79
Rot. Bonds5

About N-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide

N-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide (PubChem CID 50895813) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide
PubChem CID50895813
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC NameN-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CC(=O)NN)c1ccc(Cl)c(C)c1
InChIInChI=1S/C11H16ClN3O3S/c1-3-19(17,18)15(7-11(16)14-13)9-4-5-10(12)8(2)6-9/h4-6H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyWHXZPHFQYVNSDZ-UHFFFAOYSA-N
XLogP0.79
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
CID 50895823
N-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide
CID 50891614
N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 91671580
5-[carboxymethyl(ethylsulfonyl)amino]-2-chlorobenzoic acid
CID 50894486
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide
CID 50894459
ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895540
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate
CID 50889734
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895637
N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
CID 50892714
2-(4-chloro-N-ethylsulfonyl-3-methylanilino)propanoyl chloride
CID 50895815
2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride
CID 50895573
N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 126394594

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide (CID 50895813) is N-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide is CCS(=O)(=O)N(CC(=O)NN)c1ccc(Cl)c(C)c1.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide?
The InChIKey is WHXZPHFQYVNSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-3-19(17,18)15(7-11(16)14-13)9-4-5-10(12)8(2)6-9/h4-6H,3,7,13H2,1-2H3,(H,14,16).
What are the key properties of N-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide?
N-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide has a molecular weight of 305.79 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide is sourced from PubChem (CID 50895813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).